| SpectraBase Compound ID | H7B67JdTG1l |
|---|---|
| InChI | InChI=1S/C29H42O16/c1-13(2)7-22(35)45-27-23-19(8-21(41-15(4)32)29(23,37)12-40-14(3)31)18(10-38-27)11-39-28-26(43-17(6)34)25(42-16(5)33)24(36)20(9-30)44-28/h10,13,19-21,23-28,30,36-37H,7-9,11-12H2,1-6H3/t19?,20-,21?,23?,24-,25-,26-,27?,28-,29?/m1/s1 |
| InChIKey | FPLFVYKMLWXIJG-VMZKMTEKSA-N |
| Mol Weight | 646.6 g/mol |
| Molecular Formula | C29H42O16 |
| Exact Mass | 646.247285 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9OtYWSvt8f3 |
|---|---|
| Name | Opulus iridoid I |
| CAS Registry Number | 69332-04-3 |
| Comments | COUPLING CONSTANTS +/-5 HZ ONLY REASSIGNED (R.R.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C29H42O16 |
| InChI | InChI=1S/C29H42O16/c1-13(2)7-22(35)45-27-23-19(8-21(41-15(4)32)29(23,37)12-40-14(3)31)18(10-38-27)11-39-28-26(43-17(6)34)25(42-16(5)33)24(36)20(9-30)44-28/h10,13,19-21,23-28,30,36-37H,7-9,11-12H2,1-6H3/t19?,20-,21?,23?,24-,25-,26-,27?,28-,29?/m1/s1 |
| InChIKey | FPLFVYKMLWXIJG-VMZKMTEKSA-N |
| Literature Reference | K. Bock, S.R. Jensen, Phytochem. 17, 753 (1978). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |